methyl 7-methyl-3-naphthalen-2-ylcarbonyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 7-methyl-3-naphthalen-2-ylcarbonyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Openeye Name: methyl 7-methyl-3-(naphthalene-2-carbonyl)-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-3-[2-naphthalenyl(oxo)methyl]-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-3-(naphthalene-2-carbonyl)-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Traditional Name: 7-methyl-3-(2-naphthoyl)-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester Formula: C31H24N4O3 MolecularWeight: 500.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C31H24N4O3/c1-20-26(30(37)38-2)27(22-12-5-3-6-13-22)34-29(33-35(31(34)32-20)25-15-7-4-8-16-25)28(36)24-18-17-21-11-9-10-14-23(21)19-24/h3-19,27H,1-2H3